CID 84723824

2126178-04-7

Structural Information

Molecular Formula
C7H10BrN3
SMILES
C1CC1(CN)N2C=C(C=N2)Br
InChI
InChI=1S/C7H10BrN3/c8-6-3-10-11(4-6)7(5-9)1-2-7/h3-4H,1-2,5,9H2
InChIKey
KQNXXBFZBCWVGN-UHFFFAOYSA-N
Compound name
[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01309 140.3
[M+Na]+ 237.99503 154.5
[M-H]- 213.99853 147.8
[M+NH4]+ 233.03963 158.6
[M+K]+ 253.96897 143.0
[M+H-H2O]+ 198.00307 139.6
[M+HCOO]- 260.00401 161.9
[M+CH3COO]- 274.01966 155.3
[M+Na-2H]- 235.98048 148.0
[M]+ 215.00526 159.2
[M]- 215.00636 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.